Information card for entry 4348753

Structure parameters

• Formula: C67 H106 Ge P2
• Calculated formula: C67 H106 Ge P2
• SMILES: [Ge](P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CC1CCCCC1
• Title of publication: Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R₂P)₂E (E = Ge, Sn).
• Authors of publication: Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10510 - 10522
• a: 27.3723 ± 0.0006 Å
• b: 19.1347 ± 0.0003 Å
• c: 12.3204 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6452.9 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No